[4-[2-[bis(sulfomethyl)amino]ethyl]piperazin-1-yl]methanesulfonic acid

Systemtic Name: [4-[2-[bis(sulfomethyl)amino]ethyl]piperazin-1-yl]methanesulfonic acid Openeye Name: [4-[2-[bis(sulfomethyl)amino]ethyl]piperazin-1-yl]methanesulfonic acid CAS Name: [4-[2-[bis(sulfomethyl)amino]ethyl]-1-piperazinyl]methanesulfonic acid IUPAC Name: [4-[2-[bis(sulfomethyl)amino]ethyl]piperazin-1-yl]methanesulfonic acid Traditional Name: [4-[2-[bis(sulfomethyl)amino]ethyl]piperazino]methanesulfonic acid Formula: C9H21N3O9S3 MolecularWeight: 411.47274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN(CS(=O)(=O)O)CS(=O)(=O)O)CS(=O)(=O)O

Isomeric SMILES

C1CN(CCN1CCN(CS(=O)(=O)O)CS(=O)(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C9H21N3O9S3/c13-22(14,15)7-11-4-1-10(2-5-11)3-6-12(8-23(16,17)18)9-24(19,20)21/h1-9H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)